1-(3,4-dimethylphenoxy)-3-[4-(diphenylmethyl)piperazin-1-yl]propan-2-ol dihydrochloride

Systemtic Name: 1-(3,4-dimethylphenoxy)-3-[4-(diphenylmethyl)piperazin-1-yl]propan-2-ol dihydrochloride Openeye Name: 1-(4-benzhydrylpiperazin-1-yl)-3-(3,4-dimethylphenoxy)propan-2-ol dihydrochloride CAS Name: 1-(3,4-dimethylphenoxy)-3-[4-(diphenylmethyl)-1-piperazinyl]-2-propanol dihydrochloride IUPAC Name: 1-(4-benzhydrylpiperazin-1-yl)-3-(3,4-dimethylphenoxy)propan-2-ol dihydrochloride Traditional Name: 1-(4-benzhydrylpiperazino)-3-(3,4-dimethylphenoxy)propan-2-ol dihydrochloride Formula: C28H36Cl2N2O2 MolecularWeight: 503.50364

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)OCC(CN2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)O)C.Cl.Cl

Isomeric SMILES

CC1=C(C=C(C=C1)OCC(CN2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)O)C.Cl.Cl

InChI

InChI=1S/C28H34N2O2.2ClH/c1-22-13-14-27(19-23(22)2)32-21-26(31)20-29-15-17-30(18-16-29)28(24-9-5-3-6-10-24)25-11-7-4-8-12-25;;/h3-14,19,26,28,31H,15-18,20-21H2,1-2H3;2*1H